K272-2287 Screening compound: 6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

K272-2287 Screening compound: 6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione
K272-2287 Screening compound: 6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound K272-2287
6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K272-2287

Molecular Formula

C13H16N2O2S (C13 H16 N2 O2 S)

Compound Name

6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

IUPAC name

6-ethoxy-9-methyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-11-thione

SMILES

CCOc1cccc(C(C2)N3)c1OC2(C)NC3=S

InChI

InChI=1S/C13H16N2O2S/c1-3-16-10-6-4-5-8-9-7-13(2,17-11(8)10)15-12(18)14-9/h4-6,9H,3,7H2,1-2H3,(H2,14,15,18)

InChI Key

DRZQAOJVEJQLEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05027644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.383

Distribution Coefficient, logD

2.383

Water Solubility, LogSw

-2.71

Polar Surface Area

37.496

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.20

K272-2287 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K272-2287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-2287?
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What is the minimum amount of K272-2287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-2287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-2287
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K272-2287 available by request